(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C18H27N3O3 — CID 99939916

IUPAC(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](C(=O)NCCCc2ccc(O)cc2)C1
InChIInChI=1S/C18H27N3O3/c1-20(2)18(24)21-12-4-6-15(13-21)17(23)19-11-3-5-14-7-9-16(22)10-8-14/h7-10,15,22H,3-6,11-13H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyLVYWJEZKXMBKCI-OAHLLOKOSA-N
MW333.43 g/mol
LogP1.83
Rot. Bonds5

About (3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 99939916) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID99939916
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](C(=O)NCCCc2ccc(O)cc2)C1
InChIInChI=1S/C18H27N3O3/c1-20(2)18(24)21-12-4-6-15(13-21)17(23)19-11-3-5-14-7-9-16(22)10-8-14/h7-10,15,22H,3-6,11-13H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyLVYWJEZKXMBKCI-OAHLLOKOSA-N
XLogP1.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[3-(4-fluorophenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74249959
3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74240152
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 86973039
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide
CID 115628009
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
1-(benzenesulfonyl)-N-[3-(4-hydroxyphenyl)propyl]piperidine-3-carboxamide
CID 86972828
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642
(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
CID 97193249
3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 72892139
(3S)-3-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97196027
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 99939916) is (3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCC[C@@H](C(=O)NCCCc2ccc(O)cc2)C1.
What is the InChIKey of (3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is LVYWJEZKXMBKCI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(2)18(24)21-12-4-6-15(13-21)17(23)19-11-3-5-14-7-9-16(22)10-8-14/h7-10,15,22H,3-6,11-13H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 99939916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).